Cas no 146091-76-1 (1H-Imidazole-5-carboxylicacid, 4-cyano-1-methyl-)

1H-Imidazole-5-carboxylicacid, 4-cyano-1-methyl- structure
146091-76-1 structure
Product Name:1H-Imidazole-5-carboxylicacid, 4-cyano-1-methyl-
CAS No:146091-76-1
MF:C6H5N3O2
MW:151.122800588608
CID:101340
PubChem ID:45082015
Update Time:2025-04-18

1H-Imidazole-5-carboxylicacid, 4-cyano-1-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole-5-carboxylicacid, 4-cyano-1-methyl-
    • 5-cyano-3-methylimidazole-4-carboxylic acid
    • 1H-Imidazole-5-carboxylicacid,4-cyano-1-methyl-(9CI)
    • EN300-7701745
    • SCHEMBL5055852
    • CS-0373243
    • 4-cyano-1-methyl-1H-imidazole-5-carboxylic acid
    • 146091-76-1
    • 1H-IMIDAZOLE-5-CARBOXYLIC ACID, 4-CYANO-1-METHYL-
    • DTXSID70665029
    • ZKRPZVXOCOLIFW-UHFFFAOYSA-N
    • Inchi: 1S/C6H5N3O2/c1-9-3-8-4(2-7)5(9)6(10)11/h3H,1H3,(H,10,11)
    • InChI Key: ZKRPZVXOCOLIFW-UHFFFAOYSA-N
    • SMILES: OC(C1=C(C#N)N=CN1C)=O

Computed Properties

  • Exact Mass: 151.03825
  • Monoisotopic Mass: 151.038
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 219
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 78.9A^2
  • XLogP3: -0.1

Experimental Properties

  • PSA: 78.91

1H-Imidazole-5-carboxylicacid, 4-cyano-1-methyl- Pricemore >>

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